#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n MET 1 N 0.00 0.00 -3.58 2.89 0.00 -1.26 -5.17 117.12 110.01 3hx5 n MET 1 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 3hx5 n MET 1 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 3hx5 n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hx5 s SER 2 N 0.24 -0.60 0.83 3.17 1.04 -1.26 -5.17 113.70 111.95 3hx5 s SER 2 Ca 0.00 0.74 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 3hx5 s SER 2 Cb 0.00 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.84 3hx5 s SER 2 CO 0.00 -0.51 0.90 -0.24 0.98 0.00 0.00 173.24 174.37 3hx5 n SER 3 N 1.31 -0.12 0.00 7.02 2.88 -1.26 -4.92 113.62 118.53 3hx5 n SER 3 Ca -0.18 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.00 3hx5 n SER 3 Cb 0.57 -1.39 0.73 0.00 -0.75 0.00 0.00 64.21 63.36 3hx5 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx5 n GLN 4 N -2.56 0.61 -0.00 -1.46 10.64 -1.26 -3.29 117.38 120.06 3hx5 n GLN 4 Ca 0.11 0.02 0.01 0.00 -1.83 0.00 0.00 57.00 55.32 3hx5 n GLN 4 Cb 0.51 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.37 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.14 0.00 -1.68 -0.39 -5.35 -1.26 -5.03 119.36 104.51 3hx5 n ILE 5 Ca 0.16 -0.22 -0.46 0.00 -0.27 0.00 0.00 62.75 61.96 3hx5 n ILE 5 Cb 0.15 0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 38.67 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -1.38 2.34 -3.61 6.28 0.63 -1.21 -4.84 116.66 114.87 3hx5 n ARG 6 Ca -0.00 0.85 -0.14 0.00 -0.92 0.00 0.00 57.85 57.64 3hx5 n ARG 6 Cb 0.07 -2.71 -0.13 0.00 0.45 0.00 0.00 32.46 30.14 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N 3.41 0.17 -1.86 -0.14 0.74 -1.26 -4.87 119.66 115.85 3hx5 s GLN 7 Ca 0.88 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.93 3hx5 s GLN 7 Cb -0.63 -0.28 0.00 0.00 1.10 0.00 0.00 33.01 33.20 3hx5 s GLN 7 CO 0.46 -0.38 0.00 -1.71 -0.55 0.00 0.00 175.29 173.11 3hx5 n ASN 8 N 5.35 -5.36 -4.29 6.67 5.15 -1.26 -4.94 115.26 116.57 3hx5 n ASN 8 Ca -0.06 0.28 -0.45 0.00 -0.60 0.00 0.00 54.58 53.75 3hx5 n ASN 8 Cb 0.50 -4.49 -0.04 0.00 -0.53 0.00 0.00 39.78 35.22 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -2.80 3.67 0.62 1.20 5.04 -1.26 -4.79 117.35 119.03 3hx5 s TYR 9 Ca 0.00 -2.07 -0.19 0.00 -2.44 0.00 0.00 57.07 52.37 3hx5 s TYR 9 Cb 0.00 -3.71 -0.02 0.00 0.35 0.00 0.00 41.96 38.58 3hx5 s TYR 9 CO 0.00 -0.97 1.32 -1.54 -1.34 0.00 0.00 175.55 173.02 3hx5 s SER 10 N 2.01 4.74 0.30 4.32 1.04 -1.26 -4.89 113.70 119.95 3hx5 s SER 10 Ca 0.17 2.68 0.04 0.00 0.48 0.00 0.00 55.95 59.32 3hx5 s SER 10 Cb -0.13 -2.62 0.46 0.00 0.10 0.00 0.00 66.02 63.82 3hx5 s SER 10 CO -0.07 -1.92 1.75 0.71 0.98 0.00 0.00 173.24 174.68 3hx5 h THR 11 N 0.77 1.26 -0.93 2.02 1.35 -1.99 -2.58 112.91 112.81 3hx5 h THR 11 Ca -0.51 -1.22 0.09 0.00 -0.55 0.00 0.00 66.41 64.22 3hx5 h THR 11 Cb 1.33 1.35 -0.07 0.00 -1.73 0.00 0.00 68.15 69.03 3hx5 h THR 11 CO 0.54 0.39 0.57 0.44 -0.25 0.00 0.00 175.52 177.21 3hx5 h ASP 12 N 0.39 0.86 0.42 5.36 3.45 -2.00 -0.69 116.42 124.20 3hx5 h ASP 12 Ca 0.06 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3hx5 h ASP 12 Cb 0.64 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3hx5 h ASP 12 CO 0.05 0.50 -0.20 0.58 -1.57 0.00 0.00 179.24 178.59 3hx5 h VAL 13 N 0.96 0.45 -1.06 -1.35 2.07 -1.88 -2.62 116.25 112.82 3hx5 h VAL 13 Ca 0.44 -0.55 0.31 0.00 0.82 0.00 0.00 66.70 67.72 3hx5 h VAL 13 Cb 0.34 0.66 -0.13 0.00 -1.52 0.00 0.00 31.29 30.64 3hx5 h VAL 13 CO -0.23 0.08 0.64 -0.08 0.02 0.00 0.00 177.57 178.00 3hx5 h GLU 14 N -0.93 0.34 0.77 1.57 4.81 -1.06 0.18 114.58 120.26 3hx5 h GLU 14 Ca -0.06 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3hx5 h GLU 14 Cb 0.56 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.87 3hx5 h GLU 14 CO 0.09 0.23 -0.37 0.00 -0.73 0.00 0.00 179.01 178.23 3hx5 h ALA 15 N 1.73 -1.11 -0.99 2.92 0.00 -1.08 -2.32 119.26 118.41 3hx5 h ALA 15 Ca 0.70 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.49 3hx5 h ALA 15 Cb 1.69 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.80 3hx5 h ALA 15 CO -0.48 -1.04 0.63 0.00 0.00 0.00 0.00 179.25 178.36 3hx5 h ALA 16 N -1.37 1.53 -0.36 0.00 0.00 -0.80 -0.15 119.26 118.13 3hx5 h ALA 16 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 16 Cb 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hx5 h ALA 16 CO 0.17 0.24 0.19 0.28 0.00 0.00 0.00 179.25 180.14 3hx5 h VAL 17 N 1.00 1.01 -0.11 0.00 2.07 -0.66 0.71 116.25 120.28 3hx5 h VAL 17 Ca 0.48 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.76 3hx5 h VAL 17 Cb 0.44 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hx5 h VAL 17 CO -0.24 0.07 -0.36 0.78 0.02 0.00 0.00 177.57 177.84 3hx5 h ASN 18 N 0.40 0.22 -0.04 0.57 2.35 -0.79 -1.01 115.58 117.28 3hx5 h ASN 18 Ca 0.14 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 3hx5 h ASN 18 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3hx5 h ASN 18 CO -0.08 0.58 -0.51 -1.28 -1.65 0.00 0.00 177.43 174.48 3hx5 h SER 19 N 0.19 0.66 -0.36 5.81 0.87 0.01 -2.69 113.55 118.04 3hx5 h SER 19 Ca 0.02 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 3hx5 h SER 19 Cb 0.73 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hx5 h SER 19 CO 0.06 1.06 -0.16 0.25 -0.53 0.00 0.00 176.83 177.50 3hx5 h LEU 20 N 0.47 0.76 -1.21 2.23 5.85 0.73 -2.55 115.31 121.60 3hx5 h LEU 20 Ca 0.02 -0.40 0.15 0.00 0.84 0.00 0.00 57.88 58.49 3hx5 h LEU 20 Cb 1.05 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 3hx5 h LEU 20 CO 0.10 0.99 0.59 0.58 -0.34 0.00 0.00 178.44 180.36 3hx5 h VAL 21 N 0.53 0.83 -0.21 1.05 2.07 -1.03 0.14 116.25 119.63 3hx5 h VAL 21 Ca 0.08 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3hx5 h VAL 21 Cb 0.70 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3hx5 h VAL 21 CO 0.05 0.14 -0.54 -1.13 0.02 0.00 0.00 177.57 176.11 3hx5 h ASN 22 N 0.75 0.68 -0.49 0.57 -0.73 -1.28 -1.17 115.58 113.90 3hx5 h ASN 22 Ca 0.48 -0.36 -0.06 0.00 1.87 0.00 0.00 56.30 58.22 3hx5 h ASN 22 Cb 0.72 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 3hx5 h ASN 22 CO -0.24 1.08 0.08 0.25 -0.37 0.00 0.00 177.43 178.24 3hx5 h LEU 23 N 0.47 0.82 -0.47 0.34 5.85 -0.44 -0.49 115.31 121.40 3hx5 h LEU 23 Ca 0.01 -0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.39 3hx5 h LEU 23 Cb 1.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3hx5 h LEU 23 CO 0.11 0.83 -0.69 1.88 -0.34 0.00 0.00 178.44 180.23 3hx5 h TYR 24 N 0.82 0.49 -0.19 1.25 -1.99 -0.65 -1.69 116.97 115.01 3hx5 h TYR 24 Ca 0.17 -0.21 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 3hx5 h TYR 24 Cb 0.37 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 3hx5 h TYR 24 CO 0.02 0.94 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.69 3hx5 h LEU 25 N 0.26 0.42 -0.37 3.88 3.38 -0.71 -0.40 115.31 121.77 3hx5 h LEU 25 Ca -0.02 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 3hx5 h LEU 25 Cb 1.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hx5 h LEU 25 CO 0.12 0.75 -0.55 -0.61 0.09 0.00 0.00 178.44 178.24 3hx5 h GLN 26 N 0.35 0.77 0.36 1.13 4.15 -0.96 -1.77 115.11 119.13 3hx5 h GLN 26 Ca 0.04 -0.49 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 3hx5 h GLN 26 Cb 0.79 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3hx5 h GLN 26 CO 0.06 1.12 -0.17 0.00 -1.93 0.00 0.00 178.83 177.91 3hx5 h ALA 27 N 0.78 -0.48 -0.70 3.38 0.00 -1.07 -0.77 119.26 120.40 3hx5 h ALA 27 Ca 0.01 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3hx5 h ALA 27 Cb 1.14 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 3hx5 h ALA 27 CO 0.12 -0.74 0.18 1.03 0.00 0.00 0.00 179.25 179.84 3hx5 h SER 28 N -0.55 0.03 -0.78 0.00 0.87 -1.01 0.15 113.55 112.26 3hx5 h SER 28 Ca -0.05 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3hx5 h SER 28 Cb 0.41 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 3hx5 h SER 28 CO 0.08 -0.01 0.43 0.22 -0.53 0.00 0.00 176.83 177.02 3hx5 h TYR 29 N 0.28 1.08 -0.77 2.24 3.20 -1.06 -1.50 116.97 120.44 3hx5 h TYR 29 Ca 0.39 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3hx5 h TYR 29 Cb 0.64 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3hx5 h TYR 29 CO -0.25 0.76 0.31 1.15 -1.64 0.00 0.00 178.16 178.49 3hx5 h THR 30 N 1.09 1.26 -0.07 1.81 2.02 0.75 -1.69 112.91 118.07 3hx5 h THR 30 Ca 0.28 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 3hx5 h THR 30 Cb 0.04 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3hx5 h THR 30 CO -0.04 0.33 -0.44 1.88 0.37 0.00 0.00 175.52 177.61 3hx5 h TYR 31 N 1.12 0.20 -0.22 3.16 0.05 -0.64 -1.11 116.97 119.53 3hx5 h TYR 31 Ca 0.26 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 3hx5 h TYR 31 Cb 0.21 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3hx5 h TYR 31 CO 0.02 0.58 -0.24 1.25 -1.05 0.00 0.00 178.16 178.72 3hx5 h LEU 32 N 0.14 0.41 -0.23 3.88 5.85 -0.72 0.31 115.31 124.95 3hx5 h LEU 32 Ca 0.01 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3hx5 h LEU 32 Cb 0.84 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3hx5 h LEU 32 CO 0.07 0.66 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.42 3hx5 h SER 33 N 0.37 0.52 0.10 1.25 0.87 -0.58 -2.90 113.55 113.18 3hx5 h SER 33 Ca 0.06 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 3hx5 h SER 33 Cb 0.63 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3hx5 h SER 33 CO 0.05 0.82 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.05 3hx5 h LEU 34 N 0.21 -0.12 -0.63 2.23 3.38 -0.86 -2.39 115.31 117.14 3hx5 h LEU 34 Ca 0.05 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.96 3hx5 h LEU 34 Cb 0.63 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 3hx5 h LEU 34 CO 0.04 0.11 -0.27 1.23 0.09 0.00 0.00 178.44 179.64 3hx5 h GLY 35 N -0.34 0.13 2.00 0.83 0.00 -0.38 0.31 103.07 105.62 3hx5 h GLY 35 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hx5 h GLY 35 CO 0.02 -0.23 0.00 0.69 0.00 0.00 0.00 176.54 177.02 3hx5 n PHE 36 N -5.45 0.66 -0.08 5.60 3.01 -1.10 -2.99 117.46 117.11 3hx5 n PHE 36 Ca 0.06 0.20 -0.13 0.00 1.01 0.00 0.00 57.45 58.59 3hx5 n PHE 36 Cb 0.36 -0.83 -0.05 0.00 -0.01 0.00 0.00 39.48 38.94 3hx5 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx5 h TYR 37 N 0.00 0.74 0.00 1.38 3.20 -0.40 -2.86 116.97 119.02 3hx5 h TYR 37 Ca 0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3hx5 h TYR 37 Cb 0.61 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3hx5 h TYR 37 CO 0.00 0.94 0.00 1.19 -1.64 0.00 0.00 178.16 178.65 3hx5 n PHE 38 N -4.34 0.00 1.37 -3.82 3.72 -0.93 -2.18 117.46 111.29 3hx5 n PHE 38 Ca -0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.49 3hx5 n PHE 38 Cb 0.45 -0.45 0.45 0.00 -0.94 0.00 0.00 39.48 38.98 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -1.45 1.31 -4.75 4.37 -0.08 -1.09 -1.92 116.55 112.94 3hx5 n ASP 39 Ca 0.06 -1.22 -0.41 0.00 -1.51 0.00 0.00 54.79 51.71 3hx5 n ASP 39 Cb 0.24 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx5 s ARG 40 N -2.24 4.39 0.65 -0.67 0.52 -0.92 -4.75 118.95 115.92 3hx5 s ARG 40 Ca 0.31 2.10 0.34 0.00 -0.52 0.00 0.00 55.73 57.96 3hx5 s ARG 40 Cb 0.20 -3.15 1.84 0.00 0.52 0.00 0.00 34.95 34.36 3hx5 s ARG 40 CO 0.42 -0.21 2.07 0.38 0.02 0.00 0.00 175.30 177.98 3hx5 h ASP 41 N 4.68 0.00 -0.43 0.23 2.03 -1.90 0.49 116.42 121.52 3hx5 h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3hx5 h ASP 41 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx5 h ASP 41 CO 0.73 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 178.04 3hx5 n ASP 42 N -3.14 3.25 0.00 4.15 3.85 -1.26 -4.31 116.55 119.09 3hx5 n ASP 42 Ca -0.01 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 3hx5 n ASP 42 Cb 0.31 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N 1.33 0.04 -3.76 2.12 0.31 0.54 -5.09 118.33 113.82 3hx5 n VAL 43 Ca 0.20 0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.28 3hx5 n VAL 43 Cb 0.56 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -2.99 -2.74 -3.50 3.52 0.00 0.14 -4.98 120.51 109.95 3hx5 n ALA 44 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 3hx5 n ALA 44 Cb 0.45 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 3hx5 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx5 n LEU 45 N -2.96 0.66 -0.33 0.00 4.77 -0.81 -4.98 117.00 113.35 3hx5 n LEU 45 Ca -0.25 -4.67 0.31 0.00 -0.03 0.00 0.00 56.01 51.37 3hx5 n LEU 45 Cb 0.65 0.17 0.66 0.00 -2.33 0.00 0.00 43.42 42.58 3hx5 n LEU 45 CO 0.64 1.86 1.28 -0.08 -1.33 0.00 0.00 177.39 179.77 3hx5 h GLU 46 N 5.33 0.14 0.03 3.23 4.81 -1.94 -1.13 114.58 125.06 3hx5 h GLU 46 Ca 0.22 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3hx5 h GLU 46 Cb 0.86 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3hx5 h GLU 46 CO 0.49 0.09 -0.01 0.78 -0.73 0.00 0.00 179.01 179.63 3hx5 h GLY 47 N 0.15 -0.04 1.04 1.92 0.00 -1.94 -1.91 103.07 102.28 3hx5 h GLY 47 Ca 0.60 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 3hx5 h GLY 47 CO -0.14 -0.02 0.13 -2.08 0.00 0.00 0.00 176.54 174.43 3hx5 h VAL 48 N -0.50 1.26 0.30 4.60 2.07 -1.75 -1.55 116.25 120.68 3hx5 h VAL 48 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3hx5 h VAL 48 Cb 0.47 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3hx5 h VAL 48 CO 0.01 0.36 -0.39 -1.28 0.02 0.00 0.00 177.57 176.29 3hx5 h SER 49 N 0.93 -1.09 -0.89 0.57 0.87 -1.25 -1.84 113.55 110.85 3hx5 h SER 49 Ca 0.19 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 60.95 3hx5 h SER 49 Cb 0.39 0.38 -0.07 0.00 -0.44 0.00 0.00 62.40 62.66 3hx5 h SER 49 CO 0.01 -0.51 0.54 -0.74 -0.53 0.00 0.00 176.83 175.59 3hx5 h HIS 50 N -0.74 0.98 -0.49 2.24 6.17 -1.26 -0.98 115.15 121.06 3hx5 h HIS 50 Ca -0.01 0.03 0.07 0.00 0.71 0.00 0.00 60.37 61.17 3hx5 h HIS 50 Cb 0.69 -0.31 -0.06 0.00 2.52 0.00 0.00 27.41 30.26 3hx5 h HIS 50 CO -0.26 0.42 0.14 0.35 0.71 0.00 0.00 177.93 179.29 3hx5 h PHE 51 N 0.90 0.25 -0.23 5.26 3.57 -0.64 -1.56 116.94 124.49 3hx5 h PHE 51 Ca 0.43 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.80 3hx5 h PHE 51 Cb 0.36 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3hx5 h PHE 51 CO -0.04 0.06 -0.44 0.74 -2.23 0.00 0.00 178.31 176.39 3hx5 h PHE 52 N 0.30 0.89 -0.22 0.41 0.05 -0.49 -2.68 116.94 115.20 3hx5 h PHE 52 Ca 0.24 -0.32 0.04 0.00 3.82 0.00 0.00 57.97 61.75 3hx5 h PHE 52 Cb 0.29 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 3hx5 h PHE 52 CO -0.19 1.10 0.15 0.00 -0.18 0.00 0.00 178.31 179.19 3hx5 h ARG 53 N 0.42 0.12 -0.17 1.51 3.08 -0.89 0.55 114.38 118.99 3hx5 h ARG 53 Ca 0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3hx5 h ARG 53 Cb 1.05 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3hx5 h ARG 53 CO 0.10 0.08 -0.15 0.93 -1.07 0.00 0.00 179.97 179.86 3hx5 h GLU 54 N 0.12 0.41 -0.64 0.04 5.08 -1.13 -2.33 114.58 116.12 3hx5 h GLU 54 Ca 0.10 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3hx5 h GLU 54 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3hx5 h GLU 54 CO -0.01 0.76 0.36 -0.07 -1.00 0.00 0.00 179.01 179.04 3hx5 h LEU 55 N 0.07 0.79 -0.66 1.33 3.38 -0.87 0.26 115.31 119.60 3hx5 h LEU 55 Ca 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 55 Cb 0.67 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hx5 h LEU 55 CO 0.04 0.63 0.31 0.00 0.09 0.00 0.00 178.44 179.51 3hx5 h ALA 56 N 1.50 0.85 0.00 1.53 0.00 -0.83 -0.54 119.26 121.78 3hx5 h ALA 56 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hx5 h ALA 56 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hx5 h ALA 56 CO -0.04 0.42 -0.22 1.49 0.00 0.00 0.00 179.25 180.91 3hx5 h GLU 57 N 0.92 0.00 -0.01 0.00 4.57 -0.75 -1.62 114.58 117.69 3hx5 h GLU 57 Ca 0.23 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.20 3hx5 h GLU 57 Cb 0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3hx5 h GLU 57 CO -0.03 0.22 -0.89 0.93 -1.18 0.00 0.00 179.01 178.06 3hx5 h GLU 58 N 0.00 0.31 -0.01 1.92 5.08 0.22 -2.29 114.58 119.82 3hx5 h GLU 58 Ca -0.00 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 57.86 3hx5 h GLU 58 Cb 0.66 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3hx5 h GLU 58 CO 0.03 1.02 -0.76 0.87 -1.00 0.00 0.00 179.01 179.16 3hx5 h LYS 59 N 0.18 0.09 -0.02 2.33 1.79 -0.73 -2.10 116.57 118.10 3hx5 h LYS 59 Ca -0.06 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3hx5 h LYS 59 Cb 1.51 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 3hx5 h LYS 59 CO 0.15 0.81 0.01 0.00 -1.08 0.00 0.00 179.45 179.33 3hx5 h ARG 60 N 0.05 0.03 -0.09 3.15 3.08 -1.24 -1.16 114.38 118.20 3hx5 h ARG 60 Ca -0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3hx5 h ARG 60 Cb 1.34 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3hx5 h ARG 60 CO 0.11 0.18 0.07 0.93 -1.07 0.00 0.00 179.97 180.19 3hx5 h GLU 61 N -0.13 0.00 0.38 0.04 5.08 -1.33 -1.55 114.58 117.08 3hx5 h GLU 61 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3hx5 h GLU 61 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hx5 h GLU 61 CO -0.00 0.00 -0.18 0.78 -1.00 0.00 0.00 179.01 178.61 3hx5 h GLY 62 N 0.00 -0.54 2.00 -3.84 0.00 -0.54 -2.11 103.07 98.04 3hx5 h GLY 62 Ca 0.04 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 3hx5 h GLY 62 CO -0.00 -0.20 -0.22 0.10 0.00 0.00 0.00 176.54 176.22 3hx5 h TYR 63 N -0.92 0.00 0.00 5.60 -0.00 -0.94 -1.00 116.97 119.71 3hx5 h TYR 63 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.66 3hx5 h TYR 63 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.27 3hx5 h TYR 63 CO 0.02 0.22 -0.06 0.93 -0.00 0.00 0.00 178.16 179.27 3hx5 h GLU 64 N 0.00 0.00 0.13 0.10 5.08 -1.30 -0.93 114.58 117.66 3hx5 h GLU 64 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 3hx5 h GLU 64 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hx5 h GLU 64 CO 0.03 0.06 -1.72 -0.09 -1.00 0.00 0.00 179.01 176.29 3hx5 h ARG 65 N 0.00 0.28 -0.50 2.33 2.43 -0.57 -2.98 114.38 115.36 3hx5 h ARG 65 Ca -0.00 -0.47 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 3hx5 h ARG 65 Cb 0.75 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3hx5 h ARG 65 CO 0.01 1.14 0.14 -0.07 -1.51 0.00 0.00 179.97 179.68 3hx5 h LEU 66 N 0.08 0.74 -1.04 3.80 3.38 -1.00 -2.27 115.31 119.00 3hx5 h LEU 66 Ca -0.32 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.34 3hx5 h LEU 66 Cb 2.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 3hx5 h LEU 66 CO 0.14 0.77 -0.28 -0.07 0.09 0.00 0.00 178.44 179.09 3hx5 h LEU 67 N 0.68 0.35 -0.81 1.67 3.38 -1.30 -1.38 115.31 117.89 3hx5 h LEU 67 Ca 0.16 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 67 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hx5 h LEU 67 CO -0.00 0.63 -0.05 0.50 0.09 0.00 0.00 178.44 179.60 3hx5 h LYS 68 N 0.31 0.84 -0.09 1.13 1.63 -1.34 -2.24 116.57 116.81 3hx5 h LYS 68 Ca 0.04 -0.26 -0.15 0.00 -0.85 0.00 0.00 60.65 59.44 3hx5 h LYS 68 Cb 0.66 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3hx5 h LYS 68 CO 0.05 0.87 -0.58 1.98 -3.45 0.00 0.00 179.45 178.32 3hx5 h MET 69 N 0.77 0.29 0.47 1.90 4.05 -1.05 -2.03 114.93 119.32 3hx5 h MET 69 Ca 0.14 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3hx5 h MET 69 Cb 0.54 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3hx5 h MET 69 CO 0.03 0.79 -0.25 0.37 0.23 0.00 0.00 176.91 178.08 3hx5 h GLN 70 N 0.22 -0.64 -0.01 0.39 5.75 -0.85 -1.56 115.11 118.42 3hx5 h GLN 70 Ca -0.00 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3hx5 h GLN 70 Cb 1.08 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 3hx5 h GLN 70 CO 0.09 -0.42 -0.23 -0.91 -2.65 0.00 0.00 178.83 174.70 3hx5 h ASN 71 N -0.66 0.02 0.25 -0.69 4.21 -1.36 -1.92 115.58 115.43 3hx5 h ASN 71 Ca -0.06 -0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.30 3hx5 h ASN 71 Cb 0.52 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 3hx5 h ASN 71 CO 0.09 0.25 -0.57 1.56 -1.29 0.00 0.00 177.43 177.47 3hx5 h GLN 72 N 0.02 0.33 0.00 0.81 4.20 -0.95 -3.09 115.11 116.43 3hx5 h GLN 72 Ca 0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3hx5 h GLN 72 Cb 0.43 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3hx5 h GLN 72 CO 0.03 0.81 -0.33 0.54 -0.67 0.00 0.00 178.83 179.20 3hx5 n ARG 73 N -3.91 0.26 0.00 1.46 5.12 -0.63 -4.94 116.66 114.02 3hx5 n ARG 73 Ca -0.03 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 3hx5 n ARG 73 Cb 0.60 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 3hx5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx5 n GLY 74 N 1.33 0.62 3.69 -0.13 0.00 -1.00 -3.87 105.19 105.84 3hx5 n GLY 74 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -1.42 1.64 -0.06 -0.02 0.00 -0.76 -4.50 107.32 102.20 3hx5 s GLY 75 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3hx5 s GLY 75 CO 0.00 -0.17 -0.12 0.50 0.00 0.00 0.00 173.10 173.31 3hx5 s ARG 76 N -5.55 1.68 0.18 2.90 1.81 -1.26 -4.34 118.95 114.37 3hx5 s ARG 76 Ca 0.72 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 54.02 3hx5 s ARG 76 Cb -0.08 -1.39 -0.08 0.00 -0.45 0.00 0.00 34.95 32.95 3hx5 s ARG 76 CO 0.55 0.02 1.24 0.00 -0.68 0.00 0.00 175.30 176.44 3hx5 s ALA 77 N 0.67 3.47 -0.34 2.13 0.00 -1.26 -4.99 121.76 121.45 3hx5 s ALA 77 Ca -0.14 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3hx5 s ALA 77 Cb -0.16 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.63 3hx5 s ALA 77 CO 0.04 -0.44 0.13 -0.51 0.00 0.00 0.00 175.76 174.98 3hx5 s LEU 78 N -0.08 2.36 0.30 0.00 1.43 -1.26 -5.13 118.68 116.30 3hx5 s LEU 78 Ca 0.55 -1.90 -0.28 0.00 -1.03 0.00 0.00 54.13 51.46 3hx5 s LEU 78 Cb -0.34 -0.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 3hx5 s LEU 78 CO 0.37 -0.38 1.06 -0.36 0.23 0.00 0.00 176.35 177.27 3hx5 s PHE 79 N 1.28 3.56 0.45 0.29 0.08 -1.26 -4.90 117.98 117.49 3hx5 s PHE 79 Ca 0.12 1.72 0.03 0.00 0.12 0.00 0.00 56.93 58.92 3hx5 s PHE 79 Cb -0.19 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 3hx5 s PHE 79 CO -0.18 -0.41 0.03 -0.65 -0.10 0.00 0.00 175.22 173.91 3hx5 s GLN 80 N -1.68 2.05 0.27 0.44 -1.52 -1.26 -5.10 119.66 112.86 3hx5 s GLN 80 Ca 0.47 -2.25 -0.30 0.00 -1.95 0.00 0.00 55.36 51.33 3hx5 s GLN 80 Cb -0.28 -1.35 -0.11 0.00 -0.22 0.00 0.00 33.01 31.05 3hx5 s GLN 80 CO 0.36 -0.29 1.58 -0.51 -0.25 0.00 0.00 175.29 176.18 3hx5 s ASP 81 N -3.76 6.43 -0.48 5.90 -0.00 -1.26 -4.95 116.67 118.55 3hx5 s ASP 81 Ca 0.19 2.88 -0.20 0.00 -0.00 0.00 0.00 52.55 55.42 3hx5 s ASP 81 Cb 0.04 -2.63 0.04 0.00 -0.00 0.00 0.00 42.92 40.38 3hx5 s ASP 81 CO 0.10 -0.88 0.62 -0.63 -0.00 0.00 0.00 175.17 174.38 3hx5 s ILE 82 N 0.15 4.87 0.31 0.77 1.01 -1.26 -5.03 121.20 122.01 3hx5 s ILE 82 Ca 0.64 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 3hx5 s ILE 82 Cb -0.47 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.63 3hx5 s ILE 82 CO 0.45 -0.72 1.52 1.17 0.00 0.00 0.00 174.94 177.36 3hx5 n LYS 83 N 6.18 2.55 -1.10 2.79 4.81 -1.26 -4.98 118.16 127.15 3hx5 n LYS 83 Ca -0.05 0.90 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 3hx5 n LYS 83 Cb 0.46 -2.64 0.11 0.00 0.02 0.00 0.00 35.03 32.98 3hx5 n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3hx5 s LYS 84 N -0.91 1.90 0.67 1.64 -2.85 -1.26 -4.84 119.74 114.09 3hx5 s LYS 84 Ca 0.62 1.29 -0.17 0.00 -1.00 0.00 0.00 55.97 56.70 3hx5 s LYS 84 Cb -0.52 -1.85 -0.01 0.00 -2.06 0.00 0.00 37.83 33.39 3hx5 s LYS 84 CO 0.53 -1.93 1.14 -2.30 0.10 0.00 0.00 175.35 172.89 3hx5 n PRO 85 N -3.71 0.87 0.06 1.78 -0.02 -1.26 -4.89 135.00 127.82 3hx5 n PRO 85 Ca 0.10 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 3hx5 n PRO 85 Cb 0.53 -2.38 0.34 0.00 -0.02 0.00 0.00 33.50 31.97 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 n ALA 86 N -2.11 1.46 -2.45 3.55 0.00 -1.26 -4.78 120.51 114.92 3hx5 n ALA 86 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 3hx5 n ALA 86 Cb 0.48 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 3hx5 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx5 s GLU 87 N -3.16 0.65 -0.10 0.00 0.41 -1.26 -5.04 118.70 110.20 3hx5 s GLU 87 Ca 0.04 -0.98 0.12 0.00 -0.41 0.00 0.00 54.97 53.74 3hx5 s GLU 87 Cb 0.07 0.25 -0.17 0.00 -1.78 0.00 0.00 34.13 32.50 3hx5 s GLU 87 CO 0.24 -0.16 0.10 -0.25 -0.49 0.00 0.00 175.26 174.71 3hx5 n ASP 88 N 0.34 1.83 -4.10 -0.19 8.00 -1.26 -4.92 116.55 116.25 3hx5 n ASP 88 Ca -0.16 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.07 3hx5 n ASP 88 Cb 0.60 1.00 -0.16 0.00 -0.02 0.00 0.00 41.12 42.54 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.46 2.03 0.00 -1.24 2.02 -1.26 -5.00 118.70 112.79 3hx5 s GLU 89 Ca -0.06 -0.58 0.21 0.00 0.02 0.00 0.00 54.97 54.56 3hx5 s GLU 89 Cb 0.05 -1.65 0.39 0.00 0.10 0.00 0.00 34.13 33.02 3hx5 s GLU 89 CO 0.54 0.13 1.35 0.91 0.02 0.00 0.00 175.26 178.20 3hx5 n TRP 90 N 3.53 0.45 -4.02 1.61 7.02 -1.26 -5.08 117.44 119.70 3hx5 n TRP 90 Ca -0.20 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 3hx5 n TRP 90 Cb 0.52 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N 1.36 1.41 3.95 6.99 0.00 -1.26 -3.86 105.19 113.77 3hx5 n GLY 91 Ca 0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 3.29 0.32 1.61 1.02 -1.26 -4.91 119.74 119.81 3hx5 s LYS 92 Ca 0.00 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.70 3hx5 s LYS 92 Cb 0.00 -2.60 0.88 0.00 -0.52 0.00 0.00 37.83 35.59 3hx5 s LYS 92 CO 0.00 -0.07 1.72 1.15 -0.92 0.00 0.00 175.35 177.23 3hx5 h THR 93 N 0.56 0.51 -0.79 2.17 2.02 -1.99 -0.77 112.91 114.61 3hx5 h THR 93 Ca -0.48 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3hx5 h THR 93 Cb 1.23 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3hx5 h THR 93 CO 0.59 0.10 0.35 -0.65 0.37 0.00 0.00 175.52 176.28 3hx5 h PRO 94 N 0.54 1.16 -0.02 6.66 0.11 -1.95 -0.24 132.00 138.26 3hx5 h PRO 94 Ca 0.64 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.56 3hx5 h PRO 94 Cb 1.24 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hx5 h PRO 94 CO -0.49 0.91 0.00 -0.44 -0.21 0.00 0.00 178.00 177.78 3hx5 h ASP 95 N 1.14 0.03 -0.95 -2.05 3.45 -1.46 -0.86 116.42 115.71 3hx5 h ASP 95 Ca 0.27 -0.25 0.02 0.00 0.43 0.00 0.00 57.03 57.51 3hx5 h ASP 95 Cb 0.16 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.87 3hx5 h ASP 95 CO -0.03 0.27 0.63 0.00 -1.57 0.00 0.00 179.24 178.53 3hx5 h ALA 96 N 0.76 1.24 -0.33 3.45 0.00 -1.25 -0.45 119.26 122.67 3hx5 h ALA 96 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3hx5 h ALA 96 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hx5 h ALA 96 CO 0.00 0.55 -0.19 1.98 0.00 0.00 0.00 179.25 181.59 3hx5 h MET 97 N 1.24 0.62 -0.56 0.00 -1.53 -0.88 -0.53 114.93 113.29 3hx5 h MET 97 Ca 0.37 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.38 3hx5 h MET 97 Cb -0.07 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 30.91 3hx5 h MET 97 CO -0.10 0.77 0.26 0.87 0.14 0.00 0.00 176.91 178.85 3hx5 h LYS 98 N 0.55 0.82 0.30 0.39 1.57 -0.03 0.04 116.57 120.21 3hx5 h LYS 98 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hx5 h LYS 98 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hx5 h LYS 98 CO 0.04 0.68 -0.14 0.00 -0.57 0.00 0.00 179.45 179.46 3hx5 h ALA 99 N 1.10 -0.40 -0.40 3.86 0.00 -0.75 -0.32 119.26 122.35 3hx5 h ALA 99 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hx5 h ALA 99 Cb 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hx5 h ALA 99 CO -0.02 -0.67 0.28 0.00 0.00 0.00 0.00 179.25 178.83 3hx5 h ALA 100 N 0.18 2.05 0.15 0.00 0.00 -0.91 0.75 119.26 121.48 3hx5 h ALA 100 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hx5 h ALA 100 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hx5 h ALA 100 CO 0.07 -0.13 -0.07 1.98 0.00 0.00 0.00 179.25 181.10 3hx5 h MET 101 N 0.26 -0.19 -0.79 0.00 -1.53 -0.62 -2.10 114.93 109.95 3hx5 h MET 101 Ca 0.18 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.52 3hx5 h MET 101 Cb 0.39 0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.42 3hx5 h MET 101 CO -0.04 0.21 0.48 0.00 0.14 0.00 0.00 176.91 177.70 3hx5 h ALA 102 N 0.09 1.09 -0.70 0.39 0.00 -0.17 -0.94 119.26 119.03 3hx5 h ALA 102 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hx5 h ALA 102 Cb 0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hx5 h ALA 102 CO 0.03 0.19 0.43 1.25 0.00 0.00 0.00 179.25 181.15 3hx5 h LEU 103 N 0.87 0.68 -0.67 0.00 5.85 -0.86 -1.18 115.31 119.99 3hx5 h LEU 103 Ca 0.35 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 3hx5 h LEU 103 Cb 0.19 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3hx5 h LEU 103 CO -0.18 0.46 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.58 3hx5 h GLU 104 N 0.81 0.47 -0.38 1.25 4.39 -0.55 -0.97 114.58 119.61 3hx5 h GLU 104 Ca 0.29 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 3hx5 h GLU 104 Cb 0.09 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hx5 h GLU 104 CO -0.14 0.85 -0.21 0.87 -1.16 0.00 0.00 179.01 179.22 3hx5 h LYS 105 N 0.38 0.73 0.04 2.33 1.57 -0.79 -0.14 116.57 120.69 3hx5 h LYS 105 Ca 0.02 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3hx5 h LYS 105 Cb 0.97 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3hx5 h LYS 105 CO 0.08 0.88 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.60 3hx5 h LYS 106 N 0.64 -0.06 -0.54 3.15 3.64 -0.99 0.14 116.57 122.56 3hx5 h LYS 106 Ca 0.09 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hx5 h LYS 106 Cb 0.70 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3hx5 h LYS 106 CO 0.05 0.19 0.34 -0.07 -2.27 0.00 0.00 179.45 177.69 3hx5 h LEU 107 N -0.30 0.57 -0.30 5.20 3.38 -1.04 -1.58 115.31 121.25 3hx5 h LEU 107 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 107 Cb 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hx5 h LEU 107 CO 0.01 0.41 0.14 -1.13 0.09 0.00 0.00 178.44 177.96 3hx5 h ASN 108 N 0.69 0.20 -0.47 -0.43 -1.24 -0.83 0.07 115.58 113.56 3hx5 h ASN 108 Ca 0.20 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 3hx5 h ASN 108 Cb -0.04 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3hx5 h ASN 108 CO -0.07 0.15 0.27 -0.61 -1.29 0.00 0.00 177.43 175.89 3hx5 h GLN 109 N 0.29 0.66 -0.31 6.67 5.75 -0.24 0.13 115.11 128.06 3hx5 h GLN 109 Ca 0.13 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3hx5 h GLN 109 Cb 0.05 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3hx5 h GLN 109 CO -0.10 0.48 -0.20 0.00 -2.65 0.00 0.00 178.83 176.37 3hx5 h ALA 110 N 1.63 0.45 -0.74 3.38 0.00 -0.72 -1.93 119.26 121.32 3hx5 h ALA 110 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 110 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hx5 h ALA 110 CO -0.03 0.39 0.39 -0.07 0.00 0.00 0.00 179.25 179.93 3hx5 h LEU 111 N 0.45 0.94 -0.76 0.00 3.38 0.12 -0.56 115.31 118.87 3hx5 h LEU 111 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3hx5 h LEU 111 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hx5 h LEU 111 CO 0.05 0.78 0.18 -0.07 0.09 0.00 0.00 178.44 179.47 3hx5 h LEU 112 N 1.03 1.05 -0.41 1.67 3.38 -0.69 -1.86 115.31 119.48 3hx5 h LEU 112 Ca 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hx5 h LEU 112 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hx5 h LEU 112 CO -0.04 1.00 0.18 0.44 0.09 0.00 0.00 178.44 180.11 3hx5 h ASP 113 N 1.06 0.56 0.28 -0.43 3.45 -0.81 0.27 116.42 120.79 3hx5 h ASP 113 Ca 0.22 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 3hx5 h ASP 113 Cb 0.36 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3hx5 h ASP 113 CO 0.00 0.56 -0.17 0.25 -1.57 0.00 0.00 179.24 178.31 3hx5 h LEU 114 N 0.52 0.00 -0.03 1.55 5.85 -0.90 0.23 115.31 122.53 3hx5 h LEU 114 Ca 0.14 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.64 3hx5 h LEU 114 Cb 0.17 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hx5 h LEU 114 CO -0.01 0.17 -0.85 -0.74 -0.34 0.00 0.00 178.44 176.66 3hx5 h HIS 115 N 0.00 0.92 -0.95 1.25 2.76 -0.49 -1.45 115.15 117.18 3hx5 h HIS 115 Ca -0.00 -0.48 0.03 0.00 -2.20 0.00 0.00 60.37 57.72 3hx5 h HIS 115 Cb 0.35 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 3hx5 h HIS 115 CO 0.00 1.30 0.62 0.00 -1.30 0.00 0.00 177.93 178.56 3hx5 h ALA 116 N 0.41 1.25 -0.20 5.26 0.00 -0.15 -0.86 119.26 124.97 3hx5 h ALA 116 Ca -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hx5 h ALA 116 Cb 1.51 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hx5 h ALA 116 CO 0.17 0.52 -0.01 1.25 0.00 0.00 0.00 179.25 181.18 3hx5 h LEU 117 N 1.22 0.36 -2.12 0.00 5.85 -0.94 -2.44 115.31 117.25 3hx5 h LEU 117 Ca 0.37 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hx5 h LEU 117 Cb -0.03 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hx5 h LEU 117 CO -0.11 0.60 0.01 1.23 -0.34 0.00 0.00 178.44 179.82 3hx5 h GLY 118 N 0.11 0.00 1.34 3.75 0.00 -0.65 -1.15 103.07 106.47 3hx5 h GLY 118 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 3hx5 h GLY 118 CO 0.01 0.00 -0.71 1.76 0.00 0.00 0.00 176.54 177.60 3hx5 h SER 119 N 0.00 0.77 -0.18 0.19 0.02 -0.87 0.44 113.55 113.92 3hx5 h SER 119 Ca 0.01 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3hx5 h SER 119 Cb 0.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3hx5 h SER 119 CO -0.00 1.26 -0.10 0.00 -1.14 0.00 0.00 176.83 176.85 3hx5 h ALA 120 N 0.73 0.26 -0.03 3.77 0.00 -0.78 -2.74 119.26 120.47 3hx5 h ALA 120 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hx5 h ALA 120 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hx5 h ALA 120 CO 0.14 0.09 0.00 0.54 0.00 0.00 0.00 179.25 180.02 3hx5 n ARG 121 N -4.58 1.16 -4.09 0.00 5.12 -0.63 -4.88 116.66 108.76 3hx5 n ARG 121 Ca -0.05 -0.16 -0.38 0.00 -1.93 0.00 0.00 57.85 55.33 3hx5 n ARG 121 Cb 0.32 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.28 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N -0.14 -2.64 -3.67 0.55 -2.24 -1.03 -4.91 114.28 100.19 3hx5 n THR 122 Ca 0.01 -0.61 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 3hx5 n THR 122 Cb 0.19 -2.21 -0.08 0.00 -2.10 0.00 0.00 70.33 66.13 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.87 5.65 0.25 3.42 -1.08 0.15 -4.94 116.67 116.26 3hx5 s ASP 123 Ca 0.29 -3.36 -0.06 0.00 -0.52 0.00 0.00 52.55 48.91 3hx5 s ASP 123 Cb -0.15 -1.88 0.27 0.00 -1.46 0.00 0.00 42.92 39.70 3hx5 s ASP 123 CO 0.96 -0.26 1.89 1.55 0.52 0.00 0.00 175.17 179.83 3hx5 h PRO 124 N 6.42 1.24 -0.64 4.34 0.13 -1.92 -2.47 132.00 139.11 3hx5 h PRO 124 Ca 0.09 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3hx5 h PRO 124 Cb 0.87 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 3hx5 h PRO 124 CO 0.79 0.87 0.40 1.25 -0.23 0.00 0.00 178.00 181.08 3hx5 h HIS 125 N 1.26 0.74 -0.74 1.56 -0.00 -1.96 0.20 115.15 116.21 3hx5 h HIS 125 Ca 0.33 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.66 3hx5 h HIS 125 Cb -0.04 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.09 3hx5 h HIS 125 CO 0.01 0.42 0.23 1.25 -0.00 0.00 0.00 177.93 179.84 3hx5 h LEU 126 N 0.78 1.08 -0.32 0.26 5.85 -1.90 -1.07 115.31 120.00 3hx5 h LEU 126 Ca 0.26 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hx5 h LEU 126 Cb 0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3hx5 h LEU 126 CO -0.10 1.01 0.11 0.00 -0.34 0.00 0.00 178.44 179.11 3hx5 h ASP 128 N 0.37 0.68 -0.74 0.00 3.58 -0.47 -1.73 116.42 118.11 3hx5 h ASP 128 Ca 0.10 -0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.56 3hx5 h ASP 128 Cb 0.24 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.03 3hx5 h ASP 128 CO -0.00 0.59 0.37 0.15 -2.88 0.00 0.00 179.24 177.47 3hx5 h PHE 129 N 0.73 0.66 0.02 0.28 3.04 -1.04 0.27 116.94 120.90 3hx5 h PHE 129 Ca 0.19 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 3hx5 h PHE 129 Cb 0.06 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.39 3hx5 h PHE 129 CO -0.01 0.22 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.42 3hx5 h LEU 130 N 0.61 -0.02 -0.24 0.59 3.38 -1.10 -1.94 115.31 116.59 3hx5 h LEU 130 Ca 0.38 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hx5 h LEU 130 Cb 0.43 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3hx5 h LEU 130 CO -0.29 0.43 -0.13 -0.33 0.09 0.00 0.00 178.44 178.21 3hx5 h GLU 131 N -0.48 -0.11 0.93 1.13 5.08 -0.97 0.23 114.58 120.39 3hx5 h GLU 131 Ca -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3hx5 h GLU 131 Cb 0.46 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hx5 h GLU 131 CO 0.00 -0.07 -0.47 1.15 -1.00 0.00 0.00 179.01 178.62 3hx5 h THR 132 N -0.11 0.00 -0.03 1.13 2.02 -0.48 -3.36 112.91 112.08 3hx5 h THR 132 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3hx5 h THR 132 Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3hx5 h THR 132 CO -0.31 0.00 -0.01 1.41 0.37 0.00 0.00 175.52 176.98 3hx5 n HIS 133 N -5.49 0.00 0.09 3.16 8.25 -0.73 -4.83 115.22 115.66 3hx5 n HIS 133 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3hx5 n HIS 133 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N 1.28 -1.11 -0.19 4.41 3.72 0.69 -4.79 117.46 121.47 3hx5 n PHE 134 Ca 0.13 0.20 -0.02 0.00 -0.05 0.00 0.00 57.45 57.71 3hx5 n PHE 134 Cb 0.58 0.25 0.05 0.00 -0.94 0.00 0.00 39.48 39.42 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N 0.00 -0.53 -0.11 4.37 3.38 -1.39 -1.66 115.31 119.37 3hx5 h LEU 135 Ca 0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hx5 h LEU 135 Cb 0.00 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hx5 h LEU 135 CO 0.00 -0.19 0.01 -0.78 0.09 0.00 0.00 178.44 177.57 3hx5 h ASP 136 N 0.00 0.18 -1.01 -0.43 1.82 -1.84 -2.78 116.42 112.36 3hx5 h ASP 136 Ca 0.28 -0.29 0.25 0.00 -0.39 0.00 0.00 57.03 56.88 3hx5 h ASP 136 Cb 0.42 -0.05 -0.08 0.00 0.68 0.00 0.00 39.33 40.30 3hx5 h ASP 136 CO -0.59 0.42 0.66 -0.33 -1.61 0.00 0.00 179.24 177.78 3hx5 h GLU 137 N -0.07 0.38 -0.04 0.28 4.39 -1.75 -0.84 114.58 116.94 3hx5 h GLU 137 Ca 0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3hx5 h GLU 137 Cb 0.32 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3hx5 h GLU 137 CO 0.00 0.25 -0.19 0.93 -1.16 0.00 0.00 179.01 178.85 3hx5 h GLU 138 N 0.40 0.19 -0.49 2.33 4.39 -1.20 -2.65 114.58 117.55 3hx5 h GLU 138 Ca 0.56 -0.16 0.08 0.00 0.34 0.00 0.00 59.36 60.18 3hx5 h GLU 138 Cb 1.42 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 30.04 3hx5 h GLU 138 CO -0.25 0.82 0.12 0.28 -1.16 0.00 0.00 179.01 178.81 3hx5 h VAL 139 N -0.39 0.75 0.28 3.13 2.07 -0.93 0.31 116.25 121.47 3hx5 h VAL 139 Ca -0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3hx5 h VAL 139 Cb 0.85 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3hx5 h VAL 139 CO 0.04 0.05 -0.14 0.11 0.02 0.00 0.00 177.57 177.65 3hx5 h LYS 140 N 0.26 -0.37 -0.96 1.57 1.57 -1.30 -0.92 116.57 116.43 3hx5 h LYS 140 Ca 0.24 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 3hx5 h LYS 140 Cb 0.31 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 3hx5 h LYS 140 CO -0.30 -0.24 0.61 1.25 -0.57 0.00 0.00 179.45 180.21 3hx5 h LEU 141 N -0.39 0.99 -0.83 2.94 5.85 -1.03 0.50 115.31 123.35 3hx5 h LEU 141 Ca -0.04 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 141 Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hx5 h LEU 141 CO 0.06 0.65 -0.19 0.40 -0.34 0.00 0.00 178.44 179.02 3hx5 h ILE 142 N 1.14 1.26 0.12 4.05 2.04 -0.16 -1.06 117.51 124.91 3hx5 h ILE 142 Ca 0.40 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hx5 h ILE 142 Cb 0.12 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3hx5 h ILE 142 CO -0.16 0.41 -0.06 0.50 0.00 0.00 0.00 178.15 178.84 3hx5 h LYS 143 N 0.59 -0.16 -0.84 2.37 1.63 -0.19 -1.40 116.57 118.58 3hx5 h LYS 143 Ca 0.09 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.08 3hx5 h LYS 143 Cb 0.66 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 32.21 3hx5 h LYS 143 CO 0.05 0.09 0.36 -0.22 -3.45 0.00 0.00 179.45 176.28 3hx5 h LYS 144 N -0.40 0.43 -0.36 1.90 3.64 -0.74 0.77 116.57 121.81 3hx5 h LYS 144 Ca -0.02 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3hx5 h LYS 144 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3hx5 h LYS 144 CO 0.03 0.29 -0.26 0.52 -2.27 0.00 0.00 179.45 177.76 3hx5 h MET 145 N 0.45 0.72 -0.71 1.90 2.86 -0.93 -1.87 114.93 117.35 3hx5 h MET 145 Ca 0.49 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 3hx5 h MET 145 Cb 0.83 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3hx5 h MET 145 CO -0.46 0.90 0.22 0.78 1.06 0.00 0.00 176.91 179.41 3hx5 h GLY 146 N 0.97 1.18 0.75 8.32 0.00 0.20 0.34 103.07 114.82 3hx5 h GLY 146 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3hx5 h GLY 146 CO 0.06 0.64 -0.17 -0.55 0.00 0.00 0.00 176.54 176.52 3hx5 h ASP 147 N 1.05 -0.47 -0.79 0.19 3.32 -0.72 -1.26 116.42 117.74 3hx5 h ASP 147 Ca 0.23 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.41 3hx5 h ASP 147 Cb 0.30 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3hx5 h ASP 147 CO -0.01 -0.26 0.45 0.45 -1.72 0.00 0.00 179.24 178.15 3hx5 h HIS 148 N -0.36 0.81 -0.42 4.55 3.86 -0.80 -0.12 115.15 122.67 3hx5 h HIS 148 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3hx5 h HIS 148 Cb 0.36 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3hx5 h HIS 148 CO -0.16 0.35 0.11 -0.07 0.86 0.00 0.00 177.93 179.02 3hx5 h LEU 149 N 0.77 0.62 -0.62 2.43 3.38 -0.57 -0.81 115.31 120.52 3hx5 h LEU 149 Ca 0.37 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3hx5 h LEU 149 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hx5 h LEU 149 CO -0.23 0.69 0.09 0.74 0.09 0.00 0.00 178.44 179.82 3hx5 h THR 150 N 0.53 1.26 -0.25 0.22 2.02 -0.76 -1.39 112.91 114.55 3hx5 h THR 150 Ca 0.13 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 3hx5 h THR 150 Cb 0.30 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3hx5 h THR 150 CO -0.00 0.38 -0.37 0.78 0.37 0.00 0.00 175.52 176.68 3hx5 h ASN 151 N 0.93 0.57 -0.13 4.18 2.35 -0.92 -2.37 115.58 120.20 3hx5 h ASN 151 Ca 0.19 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 3hx5 h ASN 151 Cb 0.44 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3hx5 h ASN 151 CO 0.01 0.89 -0.45 -0.07 -1.65 0.00 0.00 177.43 176.16 3hx5 h LEU 152 N 0.46 0.74 -1.06 1.61 3.38 -0.94 -2.84 115.31 116.66 3hx5 h LEU 152 Ca 0.05 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3hx5 h LEU 152 Cb 0.85 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3hx5 h LEU 152 CO 0.07 1.08 0.13 -0.74 0.09 0.00 0.00 178.44 179.07 3hx5 h HIS 153 N 0.55 0.82 0.00 1.13 2.76 -1.15 -2.39 115.15 116.87 3hx5 h HIS 153 Ca 0.03 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3hx5 h HIS 153 Cb 1.00 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 3hx5 h HIS 153 CO 0.05 0.69 -0.13 -0.09 -1.30 0.00 0.00 177.93 177.15 3hx5 h ARG 154 N 0.77 0.00 -1.94 5.26 2.43 -1.19 -3.25 114.38 116.46 3hx5 h ARG 154 Ca 0.17 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.08 3hx5 h ARG 154 Cb 0.28 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.74 3hx5 h ARG 154 CO -0.00 0.13 -0.01 1.28 -1.51 0.00 0.00 179.97 179.86 3hx5 n LEU 155 N -3.97 5.76 -2.73 3.80 4.77 -0.90 -3.94 117.00 119.78 3hx5 n LEU 155 Ca -0.02 -3.32 -0.01 0.00 -0.03 0.00 0.00 56.01 52.63 3hx5 n LEU 155 Cb 0.22 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.13 3hx5 n LEU 155 CO 0.32 1.54 0.39 0.61 -1.33 0.00 0.00 177.39 178.92 3hx5 n GLY 156 N 1.61 1.95 0.00 -0.72 0.00 -1.23 -5.08 105.19 101.72 3hx5 n GLY 156 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N -1.18 -0.88 0.06 -0.02 0.00 -1.25 -5.05 105.19 96.86 3hx5 n GLY 157 Ca -0.08 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3hx5 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx5 h PRO 158 N 0.00 0.07 -0.00 1.61 0.13 -2.00 -3.53 132.00 128.29 3hx5 h PRO 158 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hx5 h PRO 158 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 3hx5 h PRO 158 CO 0.00 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.29